Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | FABP2 | P12104 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL693886 | 0.92 | MEN1 (0.35) | ALDH1A1MAPK1PTGS1MEN1PTGS2 | |
| SCHEMBL29246765 | 0.90 | PTGS1 (0.34) | ALDH1A1MAPK1PTGS1MEN1PTGS2 | |
| SCHEMBL4319544 | 0.80 | — | — | |
| SCHEMBL1491045 | 0.77 | ALOX5AP (0.33) | ALDH1A1MAPK1MEN1KMT2A | |
| SCHEMBL5116498 | 0.76 | BACE1 (0.34) | ALDH1A1MAPK1PTGS1MEN1PTGS2 | |
| SCHEMBL150097 | 0.76 | PTGS2 (0.35) | PTGS1PTGS2CYP2C9CYP2C19 | |
| SCHEMBL2886283 | 0.75 | — | — | |
| SCHEMBL4209132 | 0.74 | TAAR1 (0.40) | MEN1KMT2AMAPTHPGD | |
| SCHEMBL434024 | 0.74 | KDM4E (0.34) | ALDH1A1MAPK1MEN1KMT2AMAPT | |
| SCHEMBL618853 | 0.73 | BACE1 (0.39) | ALDH1A1MAPK1PTGS2HPGDBACE1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778127-A | Preparation method of flurbiprofen | 北京澳合药物研究院有限公司 | 2021-05-11 | — | — | CN | claimed |
| CN-118344234-A | Method for synthesizing medicinal compound by photo-heterogeneous catalysis | 合肥小豆蔻健康科技有限公司 | 2024-07-16 | — | — | CN | disclosed |
| CN-112778127-A | Preparation method of flurbiprofen | 北京澳合药物研究院有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-112778127-A | Preparation method of flurbiprofen | 北京澳合药物研究院有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-112457182-A | Preparation method of flurbiprofen impurity | 江苏慧聚药业有限公司 | 2021-03-09 | — | — | CN | disclosed |